Crystallography Open Database

Information card for entry 4020027

4020026 << 4020027 >> 4020028

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Coordinates	4020027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 Br O6
Calculated formula	C20 H17 Br O6
Authors of publication	Hiroyuki Suga; Kei Inoue; Shuichi Inoue; Akikazu Kalehi; Motoo Shiro
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	47 - 56
a	5.122 ± 0.003 Å
b	17.263 ± 0.008 Å
c	21.099 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	1865.6 ± 1.5 Å³
Cell temperature	153.2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.026
Weighted residual factors for all reflections included in the refinement	0.0521
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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